Chemical ID: 4363028

c1cc(cc(c1)Br)N2C(=O)C(=CC=Cc3ccco3)C(=O)NC2=O
Chemical ID:
4363028
Name [?]:
1-(3-bromophenyl)-5-[3-(2-furyl)prop-2-enylidene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
c1cc(cc(c1)Br)N2C(=O)C(=CC=Cc3ccco3)C(=O)NC2=O
InChi [?]:
InChI=1/C17H11BrN2O4/c18-11-4-1-5-12(10-11)20-16(22)14(15(21)19-17(20)23)8-2-6-13-7-3-9-24-13/h1-10H,(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,13,17,6,2,14,16,12,18,4,5,3,15,11,20,9,23,7,22,8,21,10,24,19/rA:24nCCCCCCBrNCOCCCCCCCCOCONCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;w11;s12;w13;s14;d15;s16;d17;s15s18;s11;d20;s20;s8s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11BrN2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.61767
Area:521.392
Solvation:-3.41714
Coulombic:-55.924
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:387.184
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.17
LogP (Chemaxon):2.89

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